SCHEMBL19699546

SCHEMBL19699546

CC(C)C(=O)Nc1cnc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MLYCD O95822 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HCRTR1 O43613 4/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20462622 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL13117743 0.81 HDAC4 (0.52) KDM4EHCRTR1
SCHEMBL17778482 0.77 HSD17B10 (0.42) SMN1; SMN2RAB9ANPC1TP53ABL1
SCHEMBL9893012 0.76 RAB9A (0.57) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL21503709 0.76 MLYCD (0.53) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL26764538 0.76 NOTUM (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL20464260 0.74 MAPK1 (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL9891927 0.73 GSK3A (0.52) CDK2CDK5ABL1GSK3B
SCHEMBL13057030 0.73 FFAR2 (0.58) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL19699499 0.72 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2016/4885ALDH1A1 993/4885RAB9A 1168/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 1917/4885ALDH1A1 1067/4885RAB9A 1227/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 1917/4885ALDH1A1 1067/4885RAB9A 1227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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